Geometry & MOs

Info

ID:

325570

PubChem CID:

126684012

Reduced:

N4O9C40H58 (1)

Stoich.:

A4B9C40D58 (1)

Weight, g/mol:

683.480812

ΔHf, kcal/mol:

-245.83

Dipole, Da:

7.14

IP(EA), eV:

 -9.02(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5Z)-5-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-3-cyano-2-hydroxy-6-oxo-4-propyl-2H-pyridin-1-yl]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2C(C([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CN3C=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations